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研究领域

有机催化、手性催化反应机理的理论研究及催化剂的分子设计;酶催化的分子模拟等。

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1. Qingxi Meng*, Fen Wang, Hongzong Yin*. Theoretical studies of cobalt(I)-catalyzed hydroacylation of vinylsilanes and alkyl aldehydes, J. Phys. Org. Chem. DOI: 10.1002/poc.3432, 2015. 2. Qingxi Meng*, Fen Wang. Theoretical studies of palladium- catalyzed cycloaddition of alkynyl aryl ethers and alkynes, J. Mol. Model. 2014, 20(12), 2514: 1-8. 3. Fen Wang, Qingxi Meng*, Ming Li. Theoretical studies of ruthenium hydride-catalyzed addition reactions of benzaldehydes to isoprenes leading to β,γ-unsaturated ketones: The role of the ligands hydride, carbonyl, chloride, and triphenylphosphine of the catalyst, J .Organomet .Chem. 2014, 753, 1-8. 4. Qingxi Meng*, Ming Li*. Nickel/zinc-catalyzed decarbonylative addition of anhydrides to alkynes: A DFT study, J. Mol. Model. 2013, 19(10), 4545-4554. 5. Qingxi Meng*, Fen Wang, Ming Li. Theoretical investigation of Co(0)-catalyzed intramolecular hydroacyla- tion of 4-pentenal, J. Mol. Model. 2013, 19(6), 2225-2234. 6. Qingxi Meng*, Fen Wang, Ming Li. Ruthenium hydride- catalyzed regioselective addition of benzaldehyde to dienes leading to β,γ-unsaturated ketones: a DFT study,J. Mol. Model. 2012, 18(12), 4955-4963. 7. Qingxi Meng, Ming Li*. Theoretical studies on the Mo-catalyzed asymmetric intramolecular Pauson-Khand- type [2+2+1] cycloadditions of 3-allyloxy-1-propynyl- phosphonates,J. Mol. Model. 2012, 18(8), 3489-3499. 8. Qingxi Meng, Wei Shen, Ming Li*. Mechanism of intermolecular hydroacylation of vinylsilanes aatalyzed by rhodium(I) olefin complex: a DFT study, J. Mol. Model. 2012, 18(3), 1229-1239. 9. Qingxi Meng, Ming Li*. Mechanistic study on Mo(CO)6- catalyzed intramolecular [2+2] or [2+2+1] cycloaddition reaction of 5-allenyl-1-ynes, J. Phys. Org. Chem. 2012, 25(1), 21-31. 10. Qingxi Meng, Wei Shen, Rongxing He, Ming Li*. Theoretical investigation of Ni(PMe3)4-catalyzed intermolecular hydroacylation of alkynes with benzaldehydes, Transition. Met. Chem. 2011, 36(8), 793-799. 11. Qingxi Meng*, Fen Wang, Ming Li. Bisoxazoline-copper(I)-catalyzed aziridination of diazoacetate with imines - A DFT study, Can. J. Chem. 2010, 88(10), 981-990. 12. Fen Wang, Qingxi Meng*, Ming Li. Mechanism of rhodium-catalyzed hydroacylation of propylene using formaldehyde: A computational study, Inter. J. Quantum. Chem. 2010, 110(4), 850-859.

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